HRID672605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24901771

[3-(Ethoxycarbonyl)-4-fluorophenyl]boronic acid

C9H10BFO4

结构：CC(c1ccc(Br)cc1Cl)C(O)(c1ccc2c(c1)oc(=O)n2C)C(F)(F)F

HCID66697011

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-c2ccc(C(C)C(O)(c3ccc4c(c3)oc(=O)n4C)C(F)(F)F)c(Cl)c2)ccc1F

HCID66697126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4581b3fd99946e2a50c342f6056df82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1.[F:28][c:29]1[c:30]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[c:2]1(-[c:32]2[cH:31][c:30]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[c:29]([F:28])[cH:34][cH:33]2)[cH:3][c:4]([Cl:27])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:23])[c:20](=[O:22])[o:21]3)[cH:24][cH:25]2)[CH3:26])[cH:6][cH:7]1